CS-0833348
2-(Cyanomethyl)-6-fluorobenzonitrile
Manufacturer: ChemScene
CAS Number: 1000512-78-6
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₅FN₂
Molecular Weight
160.15
Synonyms
None
SMILES
N#CCC1=CC=CC(F)=C1C#N
Tpsa
47.58
Logp
1.76346
H Acceptors
2
H Donors
0
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅FN₂
Molecular Weight: 160.15
Synonyms: None
SMILES: N#CCC1=CC=CC(F)=C1C#N
Tpsa: 47.58
Logp: 1.76346
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅FN₂
Molecular Weight:
160.15
Synonyms:
None
SMILES:
N#CCC1=CC=CC(F)=C1C#N
Tpsa:
47.58
Logp:
1.76346
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆N₂O
Molecular Weight: 158.16
Synonyms: None
SMILES: N#CCC1=CC=C(O)C=C1C#N
Tpsa: 67.81
Logp: 1.32996
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆N₂O
Molecular Weight:
158.16
Synonyms:
None
SMILES:
N#CCC1=CC=C(O)C=C1C#N
Tpsa:
67.81
Logp:
1.32996
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₀N₂O₃
Molecular Weight: 182.18
Synonyms: None
SMILES: O=C([C@@]1([H])[C@]2([H])CN(C(C)=O)C1)NC2=O
Tpsa: 66.48
Logp: -1.2627
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀N₂O₃
Molecular Weight:
182.18
Synonyms:
None
SMILES:
O=C([C@@]1([H])[C@]2([H])CN(C(C)=O)C1)NC2=O
Tpsa:
66.48
Logp:
-1.2627
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇BN₂O₂
Molecular Weight: 185.98
Synonyms: None
SMILES: OB(C1=CC=C(CC#N)C(C#N)=C1)O
Tpsa: 88.04
Logp: -0.69584
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇BN₂O₂
Molecular Weight:
185.98
Synonyms:
None
SMILES:
OB(C1=CC=C(CC#N)C(C#N)=C1)O
Tpsa:
88.04
Logp:
-0.69584
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2